| Pubchem ID | 7047 |
|---|---|
| CAS | 91-22-5 |
| IUPAC name | quinoline |
| Synonyms | Chinoline|Chinolin|1-Benzazine|1-Azanaphthalene|Chinoleine|Leucol|Benzo[b]pyridine|Benzopyridine|Leukol|2,3-Benzopyridine |
| Categories | Flavor enhancer |
| SMILES | C1=CC=C2C(=C1)C=CC=N2 |
| InCheykey | InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H |
| Natural | YES |
| E No. | - |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 129.162 | 0 | 1 | 0 | 12.9 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Slightly Soluble | Weaker / Non binder | High | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Non-Toxic | Mutagen | Irritant | Non-Irritant | Irritant | Non-Degradable |